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<title>bond_style class2 command — LAMMPS 15 May 2015 version documentation</title>
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<li>bond_style class2 command</li>
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<div class="section" id="bond-style-class2-command">
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<span id="index-0"></span><h1>bond_style class2 command<a class="headerlink" href="#bond-style-class2-command" title="Permalink to this headline">¶</a></h1>
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<div class="section" id="bond-style-class2-omp-command">
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<h1>bond_style class2/omp command<a class="headerlink" href="#bond-style-class2-omp-command" title="Permalink to this headline">¶</a></h1>
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<div class="section" id="syntax">
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<h2>Syntax<a class="headerlink" href="#syntax" title="Permalink to this headline">¶</a></h2>
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<div class="highlight-python"><div class="highlight"><pre>bond_style class2
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</pre></div>
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</div>
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</div>
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<div class="section" id="examples">
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<h2>Examples<a class="headerlink" href="#examples" title="Permalink to this headline">¶</a></h2>
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<div class="highlight-python"><div class="highlight"><pre>bond_style class2
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bond_coeff 1 1.0 100.0 80.0 80.0
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</pre></div>
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</div>
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</div>
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<div class="section" id="description">
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<h2>Description<a class="headerlink" href="#description" title="Permalink to this headline">¶</a></h2>
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<p>The <em>class2</em> bond style uses the potential</p>
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<img alt="_images/bond_class2.jpg" class="align-center" src="_images/bond_class2.jpg" />
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<p>where r0 is the equilibrium bond distance.</p>
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<p>See <a class="reference internal" href="pair_modify.html#sun"><span>(Sun)</span></a> for a description of the COMPASS class2 force field.</p>
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<p>The following coefficients must be defined for each bond type via the
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<a class="reference internal" href="bond_coeff.html"><em>bond_coeff</em></a> command as in the example above, or in
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the data file or restart files read by the <a class="reference internal" href="read_data.html"><em>read_data</em></a>
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or <a class="reference internal" href="read_restart.html"><em>read_restart</em></a> commands:</p>
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<ul class="simple">
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<li>R0 (distance)</li>
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<li>K2 (energy/distance^2)</li>
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<li>K3 (energy/distance^3)</li>
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<li>K4 (energy/distance^4)</li>
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</ul>
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<hr class="docutils" />
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<p>Styles with a <em>cuda</em>, <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
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functionally the same as the corresponding style without the suffix.
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They have been optimized to run faster, depending on your available
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hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><em>Section_accelerate</em></a>
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of the manual. The accelerated styles take the same arguments and
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should produce the same results, except for round-off and precision
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issues.</p>
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<p>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
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KOKKOS, USER-OMP and OPT packages, respectively. They are only
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enabled if LAMMPS was built with those packages. See the <a class="reference internal" href="Section_start.html#start-3"><span>Making LAMMPS</span></a> section for more info.</p>
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<p>You can specify the accelerated styles explicitly in your input script
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by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span>-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
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use the <a class="reference internal" href="suffix.html"><em>suffix</em></a> command in your input script.</p>
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<p>See <a class="reference internal" href="Section_accelerate.html"><em>Section_accelerate</em></a> of the manual for
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more instructions on how to use the accelerated styles effectively.</p>
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</div>
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<hr class="docutils" />
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<div class="section" id="restrictions">
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<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline">¶</a></h2>
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<p>This bond style can only be used if LAMMPS was built with the CLASS2
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package. See the <a class="reference internal" href="Section_start.html#start-3"><span>Making LAMMPS</span></a> section
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for more info on packages.</p>
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</div>
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<div class="section" id="related-commands">
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<h2>Related commands<a class="headerlink" href="#related-commands" title="Permalink to this headline">¶</a></h2>
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<p><a class="reference internal" href="bond_coeff.html"><em>bond_coeff</em></a>, <a class="reference internal" href="delete_bonds.html"><em>delete_bonds</em></a></p>
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<p><strong>Default:</strong> none</p>
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<hr class="docutils" />
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<p id="sun"><strong>(Sun)</strong> Sun, J Phys Chem B 102, 7338-7364 (1998).</p>
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